Molecule

ID:47936

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆Cl₂N₂
Molecular Mass
269.25424
Exact Mass
268.1473042
Charge
0
InChI
InChI=1S/C12H24N2.2ClH/c1-2-4-9-14(8-3-1)11-12-6-5-7-13-10-12;;/h12-13H,1-11H2;2*1H
InChIKey
DMVAFLKVQKRMRQ-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CN1)CN1CCCCCC1.Cl.Cl
Isomeric Smiles
N1(CC2CNCCC2)CCCCCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-4.6459675
LogD (pH = 7.4)
-2.74502
Log P
1.63102
Molar Refractivity
61.6067
Polarizability
24.457176
Polar Surface Area
15.27
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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